2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid

C17H19NO5S — CID 120543546

IUPAC2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid
SMILESCC(C)S(=O)(=O)CC(=O)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO5S/c1-11(2)24(22,23)10-15(19)18-16(17(20)21)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,16H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyWVJZKACCLASJIQ-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.90
Rot. Bonds6

About 2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid

2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid (PubChem CID 120543546) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid
PubChem CID120543546
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid
SMILESCC(C)S(=O)(=O)CC(=O)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO5S/c1-11(2)24(22,23)10-15(19)18-16(17(20)21)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,16H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyWVJZKACCLASJIQ-UHFFFAOYSA-N
XLogP1.90
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543507
2-naphthalen-2-yl-2-(pentanoylamino)acetic acid
CID 120543531
2-[(2-tert-butylsulfanylacetyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543464
N-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide
CID 87023948
2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543456
2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]-2-naphthalen-2-ylacetic acid
CID 120543564
2-naphthalen-2-yl-2-(propylamino)acetic acid
CID 43754123
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
2-[[carboxy(naphthalen-2-yl)methyl]amino]-4-methylpentanoic acid
CID 22144227
2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543590
(2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid
CID 119372250
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543523

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid?
The IUPAC name of 2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid (CID 120543546) is 2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid.
What is the SMILES notation for 2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid?
The canonical SMILES for 2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid is CC(C)S(=O)(=O)CC(=O)NC(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid?
The InChIKey is WVJZKACCLASJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-11(2)24(22,23)10-15(19)18-16(17(20)21)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,16H,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid?
2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid has a molecular weight of 349.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid is sourced from PubChem (CID 120543546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).